CID 75481390

Tert-butyl n-(3-amino-2,2-difluoropropyl)carbamate

Structural Information

Molecular Formula
C8H16F2N2O2
SMILES
CC(C)(C)OC(=O)NCC(CN)(F)F
InChI
InChI=1S/C8H16F2N2O2/c1-7(2,3)14-6(13)12-5-8(9,10)4-11/h4-5,11H2,1-3H3,(H,12,13)
InChIKey
NKSNFHIQHSKDKB-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-amino-2,2-difluoropropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

210.11798 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.12526 146.6
[M+Na]+ 233.10720 151.2
[M+NH4]+ 228.15180 150.7
[M+K]+ 249.08114 149.1
[M-H]- 209.11070 141.6
[M+Na-2H]- 231.09265 147.0
[M]+ 210.11743 145.2
[M]- 210.11853 145.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe